CID 58538761

1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene

Structural Information

Molecular Formula
C10H10BrF3
SMILES
CC(C)(C1=CC=C(C=C1)Br)C(F)(F)F
InChI
InChI=1S/C10H10BrF3/c1-9(2,10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKey
LCCQUAUGYNBEHE-UHFFFAOYSA-N
Compound name
1-bromo-4-(1,1,1-trifluoro-2-methylpropan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

265.9918 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.99908 160.6
[M+Na]+ 288.98102 162.0
[M+NH4]+ 284.02562 163.7
[M+K]+ 304.95496 161.5
[M-H]- 264.98452 157.1
[M+Na-2H]- 286.96647 162.0
[M]+ 265.99125 158.7
[M]- 265.99235 158.7
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