CID 2063489

1,3-dibromo-5-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C7H3Br2F3
SMILES
C1=C(C=C(C=C1Br)Br)C(F)(F)F
InChI
InChI=1S/C7H3Br2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChIKey
OFNXSUANJLHGQN-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

388
Patents

301.85535 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.86263 146.3
[M+Na]+ 324.84457 158.8
[M-H]- 300.84807 150.6
[M+NH4]+ 319.88917 165.6
[M+K]+ 340.81851 142.7
[M+H-H2O]+ 284.85261 153.1
[M+HCOO]- 346.85355 159.7
[M+CH3COO]- 360.86920 203.2
[M+Na-2H]- 322.83002 152.7
[M]+ 301.85480 176.7
[M]- 301.85590 176.7
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

patents stripe