CID 2759174

340187-12-4

Structural Information

Molecular Formula
C17H16BrNO2
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCBr
InChI
InChI=1S/C17H16BrNO2/c18-9-10-19-17(20)21-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,19,20)
InChIKey
GDIPNIOJNLDDRP-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(2-bromoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

345.03644 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04372 176.2
[M+Na]+ 368.02566 186.3
[M-H]- 344.02916 183.7
[M+NH4]+ 363.07026 196.6
[M+K]+ 383.99960 174.2
[M+H-H2O]+ 328.03370 175.3
[M+HCOO]- 390.03464 196.4
[M+CH3COO]- 404.05029 208.9
[M+Na-2H]- 366.01111 181.8
[M]+ 345.03589 196.7
[M]- 345.03699 196.7
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

patents stripe