CID 57589907

1-(bromomethyl)-4-(difluoromethyl)benzene

Structural Information

Molecular Formula
C8H7BrF2
SMILES
C1=CC(=CC=C1CBr)C(F)F
InChI
InChI=1S/C8H7BrF2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,8H,5H2
InChIKey
MVSMLXCLMRPXFA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

219.96992 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97720 142.3
[M+Na]+ 242.95914 145.1
[M+NH4]+ 238.00374 146.9
[M+K]+ 258.93308 144.1
[M-H]- 218.96264 141.1
[M+Na-2H]- 240.94459 145.4
[M]+ 219.96937 141.1
[M]- 219.97047 141.1
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