CID 130686165

(1-chloro-2,2-difluoropropyl)benzene

Structural Information

Molecular Formula
C9H9ClF2
SMILES
CC(C(C1=CC=CC=C1)Cl)(F)F
InChI
InChI=1S/C9H9ClF2/c1-9(11,12)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKey
ODIHAWXEYBWGJA-UHFFFAOYSA-N
Compound name
(1-chloro-2,2-difluoropropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03609 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04337 134.3
[M+Na]+ 213.02531 142.9
[M-H]- 189.02881 135.3
[M+NH4]+ 208.06991 154.8
[M+K]+ 228.99925 138.9
[M+H-H2O]+ 173.03335 128.3
[M+HCOO]- 235.03429 149.7
[M+CH3COO]- 249.04994 182.0
[M+Na-2H]- 211.01076 140.4
[M]+ 190.03554 132.9
[M]- 190.03664 132.9
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.