CID 138388

Cyclopropenylium, triphenyl-, bromide

Structural Information

Molecular Formula
C21H15Br
SMILES
C1=CC=C(C=C1)C2=C(C2(C3=CC=CC=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C21H15Br/c22-21(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)20(21)17-12-6-2-7-13-17/h1-15H
InChIKey
JNPKSLRRDMTMRS-UHFFFAOYSA-N
Compound name
(1-bromo-2,3-diphenylcycloprop-2-en-1-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

346.0357 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.04298 171.6
[M+Na]+ 369.02492 184.3
[M-H]- 345.02842 186.7
[M+NH4]+ 364.06952 185.7
[M+K]+ 384.99886 172.8
[M+H-H2O]+ 329.03296 170.2
[M+HCOO]- 391.03390 194.4
[M+CH3COO]- 405.04955 185.5
[M+Na-2H]- 367.01037 179.5
[M]+ 346.03515 191.4
[M]- 346.03625 191.4
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