CID 5236567

9-fluorenylmethyl 1-benzotriazolyl carbonate

Structural Information

Molecular Formula
C21H15N3O3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)ON4C5=CC=CC=C5N=N4
InChI
InChI=1S/C21H15N3O3/c25-21(27-24-20-12-6-5-11-19(20)22-23-24)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18H,13H2
InChIKey
KNSPZTVPSAKHBN-UHFFFAOYSA-N
Compound name
benzotriazol-1-yl 9H-fluoren-9-ylmethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

357.11133 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11861 182.4
[M+Na]+ 380.10055 192.6
[M-H]- 356.10405 189.1
[M+NH4]+ 375.14515 197.2
[M+K]+ 396.07449 186.9
[M+H-H2O]+ 340.10859 172.5
[M+HCOO]- 402.10953 202.0
[M+CH3COO]- 416.12518 193.3
[M+Na-2H]- 378.08600 186.7
[M]+ 357.11078 188.2
[M]- 357.11188 188.2
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