CID 348631

Naphthalen-1-yl 4-bromobenzene-1-sulfonate

Structural Information

Molecular Formula
C16H11BrO3S
SMILES
C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H11BrO3S/c17-13-8-10-14(11-9-13)21(18,19)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKey
IVNVMGYMJLUKDY-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 4-bromobenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.96124 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.96852 165.3
[M+Na]+ 384.95046 177.9
[M-H]- 360.95396 175.7
[M+NH4]+ 379.99506 183.3
[M+K]+ 400.92440 165.7
[M+H-H2O]+ 344.95850 165.1
[M+HCOO]- 406.95944 181.2
[M+CH3COO]- 420.97509 205.6
[M+Na-2H]- 382.93591 173.7
[M]+ 361.96069 187.7
[M]- 361.96179 187.7
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

No patent data available for this compound.