CID 23031941

912773-31-0

Structural Information

Molecular Formula
C7H6ClN3O
SMILES
C1=CC2=C(C=C1Cl)OC(=N2)NN
InChI
InChI=1S/C7H6ClN3O/c8-4-1-2-5-6(3-4)12-7(10-5)11-9/h1-3H,9H2,(H,10,11)
InChIKey
MFBZXNCPIAFRAT-UHFFFAOYSA-N
Compound name
(6-chloro-1,3-benzoxazol-2-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

183.01994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02722 133.1
[M+Na]+ 206.00916 144.8
[M-H]- 182.01266 137.5
[M+NH4]+ 201.05376 153.8
[M+K]+ 221.98310 141.4
[M+H-H2O]+ 166.01720 127.5
[M+HCOO]- 228.01814 155.2
[M+CH3COO]- 242.03379 147.9
[M+Na-2H]- 203.99461 142.5
[M]+ 183.01939 136.2
[M]- 183.02049 136.2
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