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

94
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 153.0
[M+Na]+ 288.98102 165.2
[M-H]- 264.98452 155.9
[M+NH4]+ 284.02562 173.5
[M+K]+ 304.95496 153.4
[M+H-H2O]+ 248.98906 151.6
[M+HCOO]- 310.99000 168.6
[M+CH3COO]- 325.00565 193.8
[M+Na-2H]- 286.96647 159.8
[M]+ 265.99125 167.5
[M]- 265.99235 167.5
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

patents stripe