CID 24875258

875551-28-3

Structural Information

Molecular Formula
C18H17ClF4O
SMILES
CC(C)C1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(F)(F)F)CCl)OC)F
InChI
InChI=1S/C18H17ClF4O/c1-10(2)14-7-15(17(24-3)8-16(14)20)13-5-4-12(18(21,22)23)6-11(13)9-19/h4-8,10H,9H2,1-3H3
InChIKey
MWZUUGNGGXWZKE-UHFFFAOYSA-N
Compound name
1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]-4-fluoro-2-methoxy-5-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

360.0904 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09768 177.3
[M+Na]+ 383.07962 188.2
[M-H]- 359.08312 179.5
[M+NH4]+ 378.12422 191.8
[M+K]+ 399.05356 181.3
[M+H-H2O]+ 343.08766 167.5
[M+HCOO]- 405.08860 189.2
[M+CH3COO]- 419.10425 216.9
[M+Na-2H]- 381.06507 176.4
[M]+ 360.08985 177.8
[M]- 360.09095 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe