CID 2773852

1-chloro-2-methoxy-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H6ClF3O
SMILES
COC1=C(C=CC(=C1)C(F)(F)F)Cl
InChI
InChI=1S/C8H6ClF3O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3
InChIKey
HMFHBKVVYUOVSN-UHFFFAOYSA-N
Compound name
1-chloro-2-methoxy-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.00592 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.01320 141.7
[M+Na]+ 232.99514 152.6
[M+NH4]+ 228.03974 148.4
[M+K]+ 248.96908 146.6
[M-H]- 208.99864 139.2
[M+Na-2H]- 230.98059 146.8
[M]+ 210.00537 142.7
[M]- 210.00647 142.7
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