CID 13609144

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

Structural Information

Molecular Formula
C7H3ClF4
SMILES
C1=CC(=C(C=C1Cl)C(F)(F)F)F
InChI
InChI=1S/C7H3ClF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChIKey
PFLGDQIWYTWKCM-UHFFFAOYSA-N
Compound name
4-chloro-1-fluoro-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

197.98595 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99323 129.0
[M+Na]+ 220.97517 140.7
[M-H]- 196.97867 128.2
[M+NH4]+ 216.01977 149.7
[M+K]+ 236.94911 136.0
[M+H-H2O]+ 180.98321 121.8
[M+HCOO]- 242.98415 143.9
[M+CH3COO]- 256.99980 182.4
[M+Na-2H]- 218.96062 134.9
[M]+ 197.98540 125.7
[M]- 197.98650 125.7
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