CID 129236270

4-(bromomethyl)-1-(difluoromethyl)-2-fluorobenzene

Structural Information

Molecular Formula
C8H6BrF3
SMILES
C1=CC(=C(C=C1CBr)F)C(F)F
InChI
InChI=1S/C8H6BrF3/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,8H,4H2
InChIKey
PKXCMUOGQRJIMR-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-(difluoromethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.9605 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96778 150.0
[M+Na]+ 260.94972 152.3
[M+NH4]+ 255.99432 153.6
[M+K]+ 276.92366 151.2
[M-H]- 236.95322 147.4
[M+Na-2H]- 258.93517 151.8
[M]+ 237.95995 148.4
[M]- 237.96105 148.4
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