CID 155858974

1-bromo-3-(1-chloro-2,2-difluoropropyl)benzene

Structural Information

Molecular Formula
C9H8BrClF2
SMILES
CC(C(C1=CC(=CC=C1)Br)Cl)(F)F
InChI
InChI=1S/C9H8BrClF2/c1-9(12,13)8(11)6-3-2-4-7(10)5-6/h2-5,8H,1H3
InChIKey
JQYKAYRHMDAEPA-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-chloro-2,2-difluoropropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.9466 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95388 147.9
[M+Na]+ 290.93582 160.8
[M-H]- 266.93932 151.9
[M+NH4]+ 285.98042 169.2
[M+K]+ 306.90976 147.6
[M+H-H2O]+ 250.94386 147.9
[M+HCOO]- 312.94480 161.2
[M+CH3COO]- 326.96045 192.9
[M+Na-2H]- 288.92127 154.0
[M]+ 267.94605 165.3
[M]- 267.94715 165.3
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.