CID 2608655

1049712-01-7

Structural Information

Molecular Formula
C12H12ClNO
SMILES
CNCC1=CC=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H12ClNO/c1-14-8-11-6-7-12(15-11)9-2-4-10(13)5-3-9/h2-7,14H,8H2,1H3
InChIKey
BYMWBJBTSONWMH-UHFFFAOYSA-N
Compound name
1-[5-(4-chlorophenyl)furan-2-yl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.068026 148.1
[M+Na]+ 244.049968 157.5
[M-H]- 220.053474 155.8
[M+NH4]+ 239.094573 167.8
[M+K]+ 260.023908 153.6
[M+H-H2O]+ 204.058010 142.3
[M+HCOO]- 266.058951 169.6
[M+CH3COO]- 280.074601 188.8
[M+Na-2H]- 242.035416 153.9
[M]+ 221.06020142 151.5
[M]- 221.06129858 151.5
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.