CID 67679

(chlorodifluoromethyl)benzene

Structural Information

Molecular Formula
C7H5ClF2
SMILES
C1=CC=C(C=C1)C(F)(F)Cl
InChI
InChI=1S/C7H5ClF2/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChIKey
RPSUKAMDJCKXAF-UHFFFAOYSA-N
Compound name
[chloro(difluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

163
Patents

162.00479 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.012066 125.1
[M+Na]+ 184.994008 134.8
[M-H]- 160.997514 126.3
[M+NH4]+ 180.038613 146.8
[M+K]+ 200.967948 130.9
[M+H-H2O]+ 145.002050 119.4
[M+HCOO]- 207.002991 142.1
[M+CH3COO]- 221.018641 175.2
[M+Na-2H]- 182.979456 133.5
[M]+ 162.00424142 123.5
[M]- 162.00533858 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe