CID 2775635

5-bromo-2-methylbenzotrifluoride

Structural Information

Molecular Formula
C8H6BrF3
SMILES
CC1=C(C=C(C=C1)Br)C(F)(F)F
InChI
InChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
InChIKey
IZFVIEYHUOUPPH-UHFFFAOYSA-N
Compound name
4-bromo-1-methyl-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

237.9605 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96778 151.6
[M+Na]+ 260.94972 154.0
[M+NH4]+ 255.99432 155.2
[M+K]+ 276.92366 153.1
[M-H]- 236.95322 148.7
[M+Na-2H]- 258.93517 153.5
[M]+ 237.95995 150.0
[M]- 237.96105 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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