CID 77231394

9-bromo-7,7-dimethyl-7h-benzo[c]fluorene

Structural Information

Molecular Formula
C19H15Br
SMILES
CC1(C2=C(C3=C1C=C(C=C3)Br)C4=CC=CC=C4C=C2)C
InChI
InChI=1S/C19H15Br/c1-19(2)16-10-7-12-5-3-4-6-14(12)18(16)15-9-8-13(20)11-17(15)19/h3-11H,1-2H3
InChIKey
SNUKBTHMZLUJKR-UHFFFAOYSA-N
Compound name
9-bromo-7,7-dimethylbenzo[c]fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

322.0357 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04298 173.2
[M+Na]+ 345.02492 187.5
[M-H]- 321.02842 182.8
[M+NH4]+ 340.06952 198.3
[M+K]+ 360.99886 174.1
[M+H-H2O]+ 305.03296 173.3
[M+HCOO]- 367.03390 192.1
[M+CH3COO]- 381.04955 187.8
[M+Na-2H]- 343.01037 180.1
[M]+ 322.03515 193.5
[M]- 322.03625 193.5
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