CID 75480917

1-(chloromethyl)-4-(difluoromethyl)benzene

Structural Information

Molecular Formula
C8H7ClF2
SMILES
C1=CC(=CC=C1CCl)C(F)F
InChI
InChI=1S/C8H7ClF2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2
InChIKey
WPRVOAQXHDVAMK-UHFFFAOYSA-N
Compound name
1-(chloromethyl)-4-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

176.02043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027706 129.0
[M+Na]+ 199.009648 138.5
[M-H]- 175.013154 130.2
[M+NH4]+ 194.054253 150.3
[M+K]+ 214.983588 134.4
[M+H-H2O]+ 159.017690 122.9
[M+HCOO]- 221.018631 146.3
[M+CH3COO]- 235.034281 179.8
[M+Na-2H]- 196.995096 134.4
[M]+ 176.01988142 128.1
[M]- 176.02097858 128.1
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