CID 71650977

1261584-27-3

Structural Information

Molecular Formula
C9H8ClF3
SMILES
CC1=C(C=C(C=C1)CCl)C(F)(F)F
InChI
InChI=1S/C9H8ClF3/c1-6-2-3-7(5-10)4-8(6)9(11,12)13/h2-4H,5H2,1H3
InChIKey
XALQPZNIGSIDFF-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-methyl-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.02666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03394 136.1
[M+Na]+ 231.01588 146.9
[M-H]- 207.01938 136.4
[M+NH4]+ 226.06048 156.6
[M+K]+ 246.98982 142.2
[M+H-H2O]+ 191.02392 129.5
[M+HCOO]- 253.02486 151.4
[M+CH3COO]- 267.04051 185.5
[M+Na-2H]- 229.00133 141.5
[M]+ 208.02611 134.7
[M]- 208.02721 134.7
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

No patent data available for this compound.