CID 2736335

2-bromo-6-fluorotoluene

Structural Information

Molecular Formula
C7H6BrF
SMILES
CC1=C(C=CC=C1Br)F
InChI
InChI=1S/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey
DJGXPFQIMLEVPA-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

187.96368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97096 128.2
[M+Na]+ 210.95290 141.6
[M-H]- 186.95640 134.1
[M+NH4]+ 205.99750 152.1
[M+K]+ 226.92684 130.8
[M+H-H2O]+ 170.96094 128.6
[M+HCOO]- 232.96188 149.9
[M+CH3COO]- 246.97753 181.1
[M+Na-2H]- 208.93835 136.6
[M]+ 187.96313 145.7
[M]- 187.96423 145.7
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