CID 155977875

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

Structural Information

Molecular Formula
C8H6BrF3
SMILES
C1=CC(=C(C=C1F)CBr)C(F)F
InChI
InChI=1S/C8H6BrF3/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,8H,4H2
InChIKey
TWMHQWQIYYEDTD-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-(difluoromethyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 141.8
[M+Na]+ 260.94972 154.3
[M-H]- 236.95322 144.7
[M+NH4]+ 255.99432 163.3
[M+K]+ 276.92366 142.8
[M+H-H2O]+ 220.95776 139.9
[M+HCOO]- 282.95870 160.0
[M+CH3COO]- 296.97435 189.9
[M+Na-2H]- 258.93517 146.8
[M]+ 237.95995 156.5
[M]- 237.96105 156.5
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.